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Am095

CAS No.:
1228690-36-5
Catalog Number:
AG000JNM
Molecular Formula:
C27H24N2O5
Molecular Weight:
456.4899
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
≥98%
1 week
United States
$147
- +
10mg
≥98%
1 week
United States
$229
- +
25mg
≥98%
1 week
United States
$464
- +
50mg
99%
1 week
United States
$807
- +
100mg
99%
1 week
United States
$1140
- +
200mg
99%
1 week
United States
$1640
- +
500mg
99%
1 week
United States
$2807
- +
Product Description
Catalog Number:
AG000JNM
Chemical Name:
Am095
CAS Number:
1228690-36-5
Molecular Formula:
C27H24N2O5
Molecular Weight:
456.4899
MDL Number:
MFCD22665734
IUPAC Name:
2-[4-[4-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]acetic acid
InChI:
InChI=1S/C27H24N2O5/c1-17-25(28-27(32)33-18(2)20-6-4-3-5-7-20)26(34-29-17)23-14-12-22(13-15-23)21-10-8-19(9-11-21)16-24(30)31/h3-15,18H,16H2,1-2H3,(H,28,32)(H,30,31)/t18-/m1/s1
InChI Key:
LNDDRUPAICPXIN-GOSISDBHSA-N
SMILES:
OC(=O)Cc1ccc(cc1)c1ccc(cc1)c1onc(c1NC(=O)O[C@@H](c1ccccc1)C)C
Properties
Complexity:
666  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
456.169g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
456.498g/mol
Monoisotopic Mass:
456.169g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  
Literature
Title Journal
Discovery of highly selective and orally active lysophosphatidic acid receptor-1 antagonists with potent activity on human lung fibroblasts. Journal of medicinal chemistry 20120913
Pharmacokinetic and pharmacodynamic characterization of an oral lysophosphatidic acid type 1 receptor-selective antagonist. The Journal of pharmacology and experimental therapeutics 20110301
Properties